2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one

C30H24N2O2 — CID 3793206

IUPAC2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
SMILESO=C1CC(c2ccccc2)(C2(c3ccccc3)CC(=O)c3ccccc3N2)Nc2ccccc21
InChIInChI=1S/C30H24N2O2/c33-27-19-29(21-11-3-1-4-12-21,31-25-17-9-7-15-23(25)27)30(22-13-5-2-6-14-22)20-28(34)24-16-8-10-18-26(24)32-30/h1-18,31-32H,19-20H2
InChIKeyAETDKAGPAIKYPS-UHFFFAOYSA-N
MW444.53 g/mol
LogP6.17
Rot. Bonds3

About 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one

2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one (PubChem CID 3793206) has the molecular formula C30H24N2O2 and a molecular weight of 444.53 g/mol. Its IUPAC name is 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
PubChem CID3793206
Molecular FormulaC30H24N2O2
Molecular Weight444.53 g/mol
Exact Mass444.18
IUPAC Name2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one
SMILESO=C1CC(c2ccccc2)(C2(c3ccccc3)CC(=O)c3ccccc3N2)Nc2ccccc21
InChIInChI=1S/C30H24N2O2/c33-27-19-29(21-11-3-1-4-12-21,31-25-17-9-7-15-23(25)27)30(22-13-5-2-6-14-22)20-28(34)24-16-8-10-18-26(24)32-30/h1-18,31-32H,19-20H2
InChIKeyAETDKAGPAIKYPS-UHFFFAOYSA-N
XLogP6.17
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms34
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.53
LogP ≤ 56.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one?
The IUPAC name of 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one (CID 3793206) is 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one.
What is the SMILES notation for 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one?
The canonical SMILES for 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one is O=C1CC(c2ccccc2)(C2(c3ccccc3)CC(=O)c3ccccc3N2)Nc2ccccc21.
What is the InChIKey of 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one?
The InChIKey is AETDKAGPAIKYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O2/c33-27-19-29(21-11-3-1-4-12-21,31-25-17-9-7-15-23(25)27)30(22-13-5-2-6-14-22)20-28(34)24-16-8-10-18-26(24)32-30/h1-18,31-32H,19-20H2.
What are the key properties of 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one?
2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one has a molecular weight of 444.53 g/mol, XLogP of 6.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-2-phenyl-1,3-dihydroquinolin-2-yl)-2-phenyl-1,3-dihydroquinolin-4-one is sourced from PubChem (CID 3793206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).